5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine

C16H14FN3O — CID 61261996

IUPAC5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O/c1-21-13-4-2-3-11(9-13)14-15(19-20-16(14)18)10-5-7-12(17)8-6-10/h2-9H,1H3,(H3,18,19,20)
InChIKeyWRDSPUBICMQBNN-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.47
Rot. Bonds3

About 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine

5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 61261996) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID61261996
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O/c1-21-13-4-2-3-11(9-13)14-15(19-20-16(14)18)10-5-7-12(17)8-6-10/h2-9H,1H3,(H3,18,19,20)
InChIKeyWRDSPUBICMQBNN-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (CID 61261996) is 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine is COc1cccc(-c2c(N)n[nH]c2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is WRDSPUBICMQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-13-4-2-3-11(9-13)14-15(19-20-16(14)18)10-5-7-12(17)8-6-10/h2-9H,1H3,(H3,18,19,20).
What are the key properties of 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61261996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).